ethyl 2-[1-(1,3-benzodioxol-5-yl)-2-nitro-ethyl]-5-(oxan-4-yl)-3-oxidanylidene-pentanoate

Systemtic Name: ethyl 2-[1-(1,3-benzodioxol-5-yl)-2-nitro-ethyl]-5-(oxan-4-yl)-3-oxidanylidene-pentanoate Openeye Name: ethyl 2-[1-(1,3-benzodioxol-5-yl)-2-nitro-ethyl]-3-oxo-5-tetrahydropyran-4-yl-pentanoate CAS Name: 2-[1-(1,3-benzodioxol-5-yl)-2-nitroethyl]-5-(4-oxanyl)-3-oxopentanoic acid ethyl ester IUPAC Name: ethyl 2-[1-(1,3-benzodioxol-5-yl)-2-nitroethyl]-5-(oxan-4-yl)-3-oxopentanoate Traditional Name: 2-[1-(1,3-benzodioxol-5-yl)-2-nitro-ethyl]-3-keto-5-tetrahydropyran-4-yl-valeric acid ethyl ester Formula: C21H27NO8 MolecularWeight: 421.44098

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(C[N+](=O)[O-])C1=CC2=C(C=C1)OCO2)C(=O)CCC3CCOCC3

Isomeric SMILES

CCOC(=O)C(C(C[N+](=O)[O-])C1=CC2=C(C=C1)OCO2)C(=O)CCC3CCOCC3

InChI

InChI=1S/C21H27NO8/c1-2-28-21(24)20(17(23)5-3-14-7-9-27-10-8-14)16(12-22(25)26)15-4-6-18-19(11-15)30-13-29-18/h4,6,11,14,16,20H,2-3,5,7-10,12-13H2,1H3